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117271-77-9 | 5,12,19,26-Tetraazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaene, hexafluorophosphate(1-) (1:4)
CAS No: 117271-77-9 Catalog No: AG000E12 MDL No:
Product Description
Catalog Number:
AG000E12
Chemical Name:
5,12,19,26-Tetraazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaene, hexafluorophosphate(1-) (1:4)
CAS Number:
117271-77-9
IUPAC Name:
5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate
InChI:
InChI=1S/C36H32N4.4F6P/c1-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;4*1-7(2,3,4,5)6/h1-24H,25-28H2;;;;/q+4;4*-1
InChI Key:
ORRBEFRZPYDCAJ-UHFFFAOYSA-N
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1100.119g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
28
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1100.537g/mol
Monoisotopic Mass:
1100.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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